John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=1hukSu07vsJ SpectraBase Spectrum ID=8eiBWBsk4kb

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Atropine sulfate monohydrate
SpectraBase Compound ID 1hukSu07vsJ
InChI InChI=1S/2C17H23NO3.H2O4S.H2O/c2*1-18-13-7-8-14(18)10-15(9-13)21-17(20)16(11-19)12-5-3-2-4-6-12;1-5(2,3)4;/h2*2-6,13-16,19H,7-11H2,1H3;(H2,1,2,3,4);1H2/t2*13-,14+,15+,16?;;
InChIKey JPKKQJKQTPNWTR-CHYDPLAESA-N
Mol Weight 694.837 g/mol
Molecular Formula C34H50N2O11S
Exact Mass 694.313533 g/mol

1H Nuclear Magnetic Resonance (NMR) Chemical Shifts

1H Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8eiBWBsk4kb
Name 1alphaH, 5alphaH-tropan-3 alpha-ol, (+/-)-tropate (ester), sulfate(2.1)(salt), hydrate
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Formula C34H50N2O11S
InChI InChI=1S/2C17H23NO3.H2O4S.H2O/c2*1-18-13-7-8-14(18)10-15(9-13)21-17(20)16(11-19)12-5-3-2-4-6-12;1-5(2,3)4;/h2*2-6,13-16,19H,7-11H2,1H3;(H2,1,2,3,4);1H2/t2*13-,14+,15+,16?;;
InChIKey JPKKQJKQTPNWTR-CHYDPLAESA-N
Instrument Name Varian CFT-20
Sadtler NMR Number 55971M
Solvent D2O
SpectraBase Batch ID CZ1yCtx7qjy